使用“垂线法”、“切线法”或“三角形法”等传统方法对液相色谱重叠峰分辨时经常会遇到误差过大的情况,而使用三维(二阶)算法对重叠和拖尾峰分辨可以最大限度地降低这种因几何分割而人为产生的误差。这样改进的色谱解析方法具有自动化程度高、抗干扰能力强、对重叠/拖尾峰定量准确等优点,甚至可以减少样品前处理和色谱条件优化。该方法的核心是基于化学计量学三维(二阶)算法抽取有效信息和建模的思想,三维色谱数据按照对三线性模型的符合程度有“三线性数据”和“非三线性数据”的区别,相应地将三维(二阶)算法分为“三线性算法”和“非三线性算法”。本文综述了近10年来国内外三维(二阶)算法在复杂体系液相色谱分析中的应用进展,侧重于样品前处理、辅助算法、校正算法间的联用和对比等问题。
Using dropline separation,tangent skimming,and triangulation to estimate the area of an overlapping chromatographic peak might contribute to a large deviation. It is easy,however, to eliminate these errors caused by geometric segmentation using three-way data analysis(sec-ond-order tensor decomposition)algorithms. This method of chromatographic analysis has many advantages:automation,anti-interference,high accuracy in the resolution of overlapping chrom-atographic peaks. It even makes the final goal of analytical chemistry achievable without the aid of complicated separation procedures. The core of this method is the process of utilizing useful information and building models through chemometric algorithms. Three-way chromatographic data set can be divided into trilinear dataset and nontrilinear dataset,correspondingly,three-way data analysis(second-order tensor decomposition)algorithms can be divided into trilinear algo-rithms and nontrilinear algorithms. In this paper,three-way calibration used in liquid chromatog-raphy for complex chemical systems in the last decade is reviewed,and focused on sample pre-treatment,auxiliary algorithms,the combination and comparison of correction algorithms.
参考文献
[1] | 许国旺;石先哲.[J].色谱,201129(02):97. |
[2] | Folley J P.[J].J Chromatogr A,1987384:301. |
[3] | Wu H L;Li Y;Yu R Q.[J].J Chemom,201428(05):476. |
[4] | Escandar G M;Goicoechea H C;de la Pena A M.[J].Anal Chim Acta,2014806:8. |
[5] | Gómez V;Callao M P.[J].Anal Chim Acta,2008627:169. |
[6] | Parastar H;Tauler R.[J].Anal Chem,201486(01):286. |
[7] | 吴海龙;俞汝勤.[J].化学通报,201174(09):771. |
[8] | Olivieri A C.[J].Anal Methods,20124(07):1876. |
[9] | Hirschfeld T.[J].Anal Chem,198052(02):297A. |
[10] | Olivieri A C;Escandar G M;de la Pena A M.[J].TrAC-Trends Anal Chem,201130(04):607. |
[11] | Amigo J M;Skov T;Bro R.[J].Chem Rev,2010110(08):4582. |
[12] | 王康;贾泽慧;张志琪.[J].高等学校化学学报,200930(02):268. |
[13] | Sanchez E;Kowalski B R.[J].J Chemom,19904(01):29. |
[14] | Bro R.[J].Chemom Intell Lab Syst,199738(02):149. |
[15] | Sanchez E;Kowalski B R.[J].Anal Chem,198658(02):496. |
[16] | Linder M;Sundberg R.[J].J Chemom,200216(01):12. |
[17] | Arancibia J A;Damiani P C;Escandar G M.[J].J Chro-matogr B,2012910:22. |
[18] | Yu Y J;Wu H L;Fu H Y.[J].J Chromatogr A,20131302:72. |
[19] | 邵学广;邵利民;李梅青.[J].中国科学 B 辑:化学,200232(02):94. |
[20] | 李博岩;梁逸曾;胡芸.[J].分析化学,200432(03):313. |
[21] | Fraga C G;Prazen B J;Synovec R E.[J].Anal Chem,200173(24):5833. |
[22] | Prazen B J;Synovec R E;Kowalski B R.[J].Anal Chem,199870(02):218. |
[23] | Bortolato S A;Arancibia J A;Escandar G M.[J].Che-mom Intell Lab Syst,2010101(01):30. |
[24] | Nielsen N P V;Carstensen J M;Smedsgaard J.[J].J Chroma-togr A,1998805:17. |
[25] | Bylund D;Danielsson R;Malmquist G.[J].J Chromatogr A,2002961:237. |
[26] | Itakura F.[J].IEEE Trans Acoust Speech Signal Process,197523(01):67. |
[27] | Clifford D;Stone G;Montoliu I.[J].Anal Chem,200981(03):1000. |
[28] | Eilers P H C.[J].Anal Chem,200376(02):404. |
[29] | Tomasi G;Savorani F;Engelsen S B.[J].J Chromatogr A,20111218(43):7832. |
[30] | Zhang Z M;Chen S;Liang Y Z.[J].Talanta,201183(04):1108. |
[31] | Johnson K J;Prazen B J;Young D C.[J].J Sep Sci,200427(5/6):410. |
[32] | Pierce K M;Kehimkar B;Marney L C.[J].J Chromatogr A,20121255:3. |
[33] | Zhang Z M;Liang Y Z;Lu H M.[J].J Chromatogr A,20121223:93. |
[34] | 张婕 .[D].贵阳:贵州大学,2008. |
[35] | Wu H L;Shibukawa M;Oguma K.[J].J Chemom,199812(01):1. |
[36] | Kiers H A L;Ten Berge J M F;Bro R.[J].J Chemom,199913(3/4):275. |
[37] | Wold S;Geladi P;Esbensen K.[J].J Chemom,19871(01):41. |
[38] | Bro R.[J].J Chemom,199610(01):47. |
[39] | Tauler R.[J].Chemom Intell Lab Syst,199530(01):133. |
[40] | 孙剑奇;吴海龙;莫翠云.[J].色谱,200220(05):385. |
[41] | 陆剑忠;吴海龙;孙翔宇.[J].分析化学,200432(10):1278. |
[42] | Comas E;Gimeno R A;Ferré J.[J].J Chromatogr A,20041035:195. |
[43] | Maggio R M;Damiani P C;Olivieri A C.[J].Talanta,201183(04):1173. |
[44] | Vosough M;Salemi A.[J].Food Chem,2011127(02):827. |
[45] | Pilon A C;Carneiro R L;Carnevale Neto F.[J].Phyto-chem Anal,201324(04):401. |
[46] | Bortolato S A;Arancibia J A;Escandar G M.[J].Anal Chem,200981(19):8074. |
[47] | Canada-Canada F;Arancibia J A;Escandar G M.[J].J Chromatogr A,20091216:4868. |
[48] | Tomer K B;Arthur Moseley M;Deterding L J.[J].Mass Spectrom Rev,199413(5/6):431. |
[49] | Lima K M G;Bedia C;Tauler R.[J].Microchem J,2014117:255. |
[50] | 张树荣;吴海龙;翟敏.[J].色谱,201331(06):550. |
[51] | Olivieri A C;Wu H L;Yu R Q.[J].Chemom Intell Lab Syst,200996(02):246. |
[52] | Andersson C A;Bro R.[J].Chemom Intell Lab Syst,200052(01):1. |
[53] | 丁坤;吴大朋;关亚风.[J].色谱,201028(12):1117. |
[54] | McCoy B J.[J].AIChE J,199036(12):1933. |
[55] | Fraga C G;Corley C A.[J].J Chromatogr A,20051096:40. |
[56] | Eilers P H C;Currie I D;Durbán M.[J].Comput Stat Data An,200650(01):61. |
- 下载量()
- 访问量()
- 您的评分:
-
10%
-
20%
-
30%
-
40%
-
50%